SCHEMBL1122033

SCHEMBL1122033

Cn1cc2nc1-2.O=S(=O)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
ALDH1A1 P00352 1/20 0.33
BRD4 O60885 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2399888 0.65 TDP1 (0.32) TDP1
SCHEMBL3018155 0.65 ALDH1A1 (0.35) ALDH1A1
SCHEMBL388492 0.65 TDP1 (0.44) ALDH1A1TDP1
SCHEMBL3104611 0.62 LPO (0.41) HTTALDH1A1BRD4
SCHEMBL21511955 0.61 KDM4E (0.52) HTTALDH1A1BRD4TDP1
SCHEMBL2399893 0.61 ADORA2A (0.31)
SCHEMBL2717672 0.60 NPC1 (0.44) PDE3BPDE3AALDH1A1TDP1
SCHEMBL6200154 0.60 LMNA (0.34) TDP1
SCHEMBL11879439 0.59 NOS3 (0.48) HTTALDH1A1
SCHEMBL2702033 0.58 TDP1 (0.45) TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds BRAF, RAF1, BCOR HTT 4296/4885PDE3B 4504/4885PDE3A 4461/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.